| SpectraBase Compound ID | BRLkQ4vM0RY |
|---|---|
| InChI | InChI=1S/C11H12O3/c1-8-3-5-9(6-4-8)10(12)7-11(13)14-2/h3-6H,7H2,1-2H3 |
| InChIKey | BIKPAXOCIFGWRJ-UHFFFAOYSA-N |
| Mol Weight | 192.21 g/mol |
| Molecular Formula | C11H12O3 |
| Exact Mass | 192.078644 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FFy8KYyggRe |
|---|---|
| Name | Acetic acid, p-toluoyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.078644243 u |
| Formula | C11H12O3 |
| InChI | InChI=1S/C11H12O3/c1-8-3-5-9(6-4-8)10(12)7-11(13)14-2/h3-6H,7H2,1-2H3 |
| InChIKey | BIKPAXOCIFGWRJ-UHFFFAOYSA-N |
| Molecular Weight | 192.214 g/mol |
| SMILES | COC(=O)CC(=O)C1=CC=C(C=C1)C |